Search results for "Statistical thermodynamics."
showing 6 items of 26 documents
Single-chain conformations in symmetric binary polymer blends: Quantitative comparison between self-consistent field calculations and Monte Carlo sim…
1998
Single-chain properties in a symmetric binary polymer blend are studied by self-consistent field calculations and Monte Carlo simulations. Within the self-consistent field scheme, the statistical mechanics of a cluster of neighboring polymers is solved. Interactions among the polymers of a cluster and composition fluctuations within a cluster are incorporated exactly, a mean field approximation is invoked for intercluster interactions and long-range fluctuations. The results are compared to large scale Monte Carlo simulations for a broad range of chain lengths. While we find nearly quantitative agreement for single chain propertiese.g., the reduction of the chain dimensions of the minority …
Local softening of information geometric indicators of chaos in statistical modeling in the presence of quantum-like considerations
2013
In a previous paper (C. Cafaro et al., 2012), we compared an uncorrelated 3D Gaussian statistical model to an uncorrelated 2D Gaussian statistical model obtained from the former model by introducing a constraint that resembles the quantum mechanical canonical minimum uncertainty relation. Analysis was completed by way of the information geometry and the entropic dynamics of each system. This analysis revealed that the chaoticity of the 2D Gaussian statistical model, quantified by means of the Information Geometric Entropy (IGE), is softened or weakened with respect to the chaoticity of the 3D Gaussian statistical model due to the accessibility of more information. In this companion work, we…
Classical Statistical Mechanics
2003
Some aspects of statistical mechanics that are particularly important for computer simulation approaches are recalled. Using Ising and classical Heisenberg models as examples, various statistical ensembles and appropriate thermodynamic potentials are introduced, and concepts such as Legendre transformations between ensembles and the thermodynamic integration method to obtain the entropy are mentioned. Probability distributions characterizing statistical fluctuations are discussed, fluctuation relations for response functions are derived, and the behavior of these quantities at first and second order phase transitions are described qualitatively. Also the general consequences of phase coexis…
Statistical mechanics and thermodynamics of turbulent quantum vortex tangles
2010
In this paper we present some phenomenological ideas about the thermodynamics of quantized vortex loops arising in superfluid turbulence. The system of vortex loops may be seen as a dissipative structure, not existing on its own but only under the influence of an external heat flux. Starting from a simple definition of the temperature of the vortex tangle and from the relation between energy and vortex length, we obtain the entropy of the system, as well as the caloric and thermal equations of state, relating internal energy and pressure to temperature and volume. We discuss the connection between our macroscopic results and microscopic results on vortex length distribution function having …
Statistical mechanics characterization of spatio-compositional inhomogeneity
2009
On the basis of a model system of pillars built of unit cubes, a two-component entropic measure for the multiscale analysis of spatio-compositional inhomogeneity is proposed. It quantifies the statistical dissimilarity per cell of the actual configurational macrostate and the theoretical reference one that maximizes entropy. Two kinds of disorder compete: i) the spatial one connected with possible positions of pillars inside a cell (the first component of the measure), ii) the compositional one linked to compositions of each local sum of their integer heights into a number of pillars occupying the cell (the second component). As both the number of pillars and sum of their heights are conser…
Third virial coefficient for 4-arm and 6-arm star polymers
2008
We discuss the computation of the third virial coefficient in polymer systems, focusing on an additional contribution absent in the case of monoatomic fluids. We determine the interpenetration ratio and several quantities that involve the third virial coefficient for star polymers with 4 and 6 arms in the good-solvent regime, in the limit of a large degree of polymerization.